[3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C23H16ClF3N2O2 — CID 175895278

IUPAC[3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(Cc2ccc(Cl)cc2F)noc1Cc1ccc(F)cc1F
InChIInChI=1S/C23H16ClF3N2O2/c24-16-5-3-13(18(26)10-16)8-20-22(23(30)15-2-1-7-28-12-15)21(31-29-20)9-14-4-6-17(25)11-19(14)27/h1-7,10-12,23,30H,8-9H2
InChIKeyXIOCSSRZBYJQTP-UHFFFAOYSA-N
MW444.84 g/mol
LogP5.40
Rot. Bonds6

About [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 175895278) has the molecular formula C23H16ClF3N2O2 and a molecular weight of 444.84 g/mol. Its IUPAC name is [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID175895278
Molecular FormulaC23H16ClF3N2O2
Molecular Weight444.84 g/mol
Exact Mass444.09
IUPAC Name[3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(Cc2ccc(Cl)cc2F)noc1Cc1ccc(F)cc1F
InChIInChI=1S/C23H16ClF3N2O2/c24-16-5-3-13(18(26)10-16)8-20-22(23(30)15-2-1-7-28-12-15)21(31-29-20)9-14-4-6-17(25)11-19(14)27/h1-7,10-12,23,30H,8-9H2
InChIKeyXIOCSSRZBYJQTP-UHFFFAOYSA-N
XLogP5.40
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.84
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 175895278) is [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(Cc2ccc(Cl)cc2F)noc1Cc1ccc(F)cc1F.
What is the InChIKey of [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is XIOCSSRZBYJQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N2O2/c24-16-5-3-13(18(26)10-16)8-20-22(23(30)15-2-1-7-28-12-15)21(31-29-20)9-14-4-6-17(25)11-19(14)27/h1-7,10-12,23,30H,8-9H2.
What are the key properties of [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 444.84 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 175895278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).